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Malayaite |
 |
Rath S, Kunz M, Miletich R |
 |
American Mineralogist 88 (2003) 293-300 |
|
Pressure-induced phase transition in malayaite, CaSnOSiO4 |
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Sample: at P = 0.0 GPa |
|
_database_code_amcsd 0002981 |
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7.1523 8.8902 6.6677 90 113.362 90 A2/a |
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atom x y z Uiso |
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Ca .25 .6628 .5 .025 |
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Sn .5 .5 0 .009 |
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Si .75 .6815 .5 .0107 |
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O1 .75 .587 0 .010 |
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O2 .9147 .5679 .676 .010 |
|
O3 .370 .7116 .888 .010 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Malayaite |
|
Rath S, Kunz M, Miletich R |
|
American Mineralogist 88 (2003) 293-300 |
|
Pressure-induced phase transition in malayaite, CaSnOSiO4 |
|
Sample: at P = 4.238 GPa |
|
_database_code_amcsd 0002982 |
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7.0560 8.8436 6.5629 90 112.948 90 A2/a |
|
atom x y z Uiso |
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Ca .25 .6607 .5 .0260 |
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Sn .5 .5 0 .0097 |
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Si .75 .6834 .5 .0105 |
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O1 .75 .591 0 .010 |
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O2 .9177 .568 .672 .010 |
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O3 .370 .711 .887 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Malayaite |
|
Rath S, Kunz M, Miletich R |
|
American Mineralogist 88 (2003) 293-300 |
|
Pressure-induced phase transition in malayaite, CaSnOSiO4 |
|
Sample: at P = 4.505 GPa |
|
_database_code_amcsd 0002983 |
|
7.0498 8.8402 6.5573 90 112.925 90 A2/a |
|
atom x y z Uiso |
|
Ca .25 .6608 .5 .0276 |
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Sn .5 .5 0 .0101 |
|
Si .75 .6823 .5 .0101 |
|
O1 .75 .588 0 .010 |
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O2 .9179 .569 .6722 .010 |
|
O3 .3700 .712 .8864 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Malayaite |
|
Rath S, Kunz M, Miletich R |
|
American Mineralogist 88 (2003) 293-300 |
|
Pressure-induced phase transition in malayaite, CaSnOSiO4 |
|
Sample: at P = 5.769 GPa |
|
_database_code_amcsd 0002984 |
|
7.0252 8.8281 6.5318 89.861 112.840 90.171 A-1 |
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atom x y z Uiso |
|
Ca .2462 .662 .502 .0283 |
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Sn .5 .5 0 .0114 |
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Sn2 0 .5 0 .0116 |
|
Si .7494 .682 .499 .0121 |
|
O1 .753 .589 .002 .010 |
|
O2 .919 .568 .671 .010 |
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O22 -.419 .567 -.673 .010 |
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O3 .370 .712 .886 .010 |
|
O32 .131 .713 -.883 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Malayaite |
|
Rath S, Kunz M, Miletich R |
|
American Mineralogist 88 (2003) 293-300 |
|
Pressure-induced phase transition in malayaite, CaSnOSiO4 |
|
Sample: at P = 7.33 GPa |
|
_database_code_amcsd 0002985 |
|
6.9948 8.8103 6.4976 89.175 112.738 91.104 A-1 |
|
atom x y z Uiso |
|
Ca .2311 .659 .5047 .0287 |
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Sn .5 .5 0 .0136 |
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Sn2 0 .5 0 .0135 |
|
Si .7440 .683 .4972 .0149 |
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O1 .7561 .587 .004 .010 |
|
O2 .9229 .575 .670 .010 |
|
O22 -.4173 .565 -.670 .010 |
|
O3 .3730 .714 .886 .010 |
|
O32 .1341 .710 -.879 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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